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Adiabatic theory Landau-Zener transition

The problem of nonadiabatic tunneling in the Landau-Zener approximation has been solved by Ovchinnikova [1965]. For further refinements of the theory beyond this approximation see Laing et al. [1977], Holstein [1978], Coveney et al. [1985], Nakamura [1987]. The nonadiabatic transition probability for a more general case of dissipative tunneling is derived in appendix B. We quote here only the result for the dissipationless case obtained in the Landau-Zener limit. When < F (Xe), the total transition probability is the product of the adiabatic tunneling rate, calculated in the previous sections, and the Landau-Zener-Stueckelberg-like factor... [Pg.55]

E. E. Nikitin, Theory of Non-Adiabatic Transitions. Recent Development on the Landau-Zener Model, in Chemische Elementazprozesse edited by H. Hartmann, Springer-Verlag, Berlin, 1968. [Pg.373]

The Landau-Zener model illustrates the important variables influencing the probability of non-adiabatic transitions, but as a ID model it is only applicable to bimolecular reaction of two atoms. For most reactions of interest it is too simple to provide accurate results. For reactions involving more than two atoms the PESs are multidimensional, as we have seen above, and the avoided crossing region on a multidimensional surface is described as a conical intersection [61]. The best method for handling this complex multidimensional reactive scattering problem is trajectory calculations. Fernandez-Ramos et al. [52] has discussed approaches to this problem as part of a recent review of bimolecular reaction rate theory. It is fortunate that the vast majority of chemical reactions occur adiabatically. It will only be necessary to delve into the theory of non-adiabatic reactions when a non-adiabatic reaction is present in a reaction model, experimental data are not available, and the reaction rate influences the overall rate appreciably. [Pg.94]

Thus this book describes the recent theories of chemical dynamics beyond the Born-Oppenheimer framework from a fundamental perspective of quantum wavepacket dynamics. To formulate these issues on a clear theoretical basis and to develop the novel theories beyond the Born-Oppenheimer approximation, however, we should first learn a basic classical and quantum nuclear dynamics on an adiabatic (the Born-Oppenheimer) potential energy surface. So we learn much from the classic theories of nonadiabatic transition such as the Landau-Zener theory and its variants. [Pg.442]


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See also in sourсe #XX -- [ Pg.196 , Pg.197 , Pg.198 , Pg.199 , Pg.200 ]




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